Oxfenicine

C₈H₉NO₃CAS 32462-30-9167.16 g/mol

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Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₈H₉NO₃
Molar mass: 167.16 g/mol
Exact mass: 167.0582 Da
Melting point: 212–214 °C
logP: 0.48Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

32462-30-9

SMILES

N[C@H](C(=O)O)c1ccc(O)cc1

InChIKey

LJCWONGJFPCTTL-ZETCQYMHSA-N

InChI

InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all

Benzeneacetic acid, α-amino-4-hydroxy-, (αS)-
Benzeneacetic acid, α-amino-4-hydroxy-, (S)-
Glycine, 2-(p-hydroxyphenyl)-, L-
(αS)-α-Amino-4-hydroxybenzeneacetic acid
L-(+)-2-(4-Hydroxyphenyl)glycine
L-(p-Hydroxyphenyl)glycine
L-(+)-(p-Hydroxyphenyl)glycine
L-α-Amino-p-hydroxyphenylacetic acid
p-Hydroxy-L-phenylglycine
UK 25842
L-(4-Hydroxyphenyl)glycine
L-2-(p-Hydroxyphenyl)glycine
(S)-(4-Hydroxyphenyl)glycine
L-(+)-4-Hydroxyphenylglycine
(S)-2-(4-Hydroxyphenyl)glycine
(S)-2-Amino-2-(4-hydroxyphenyl)acetic acid
(2S)-2-Amino-2-(4-hydroxyphenyl)acetic acid

Work with Oxfenicine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-P-Hydroxyphenylglycine22818-40-2Enantiomer 4-Hydroxyphenylglycine938-97-6Stereo not defined

Similar compounds

Phenylglycine2835-06-569 % similar L-Phenylglycine2935-35-569 % similar DL-Phenylglycine69-91-069 % similar (-)-Phenylglycine875-74-169 % similar 2-Amino-2-(4-methylphenyl)acetic acid13227-01-568 % similar (S)-4-Fluorophenylglycine19883-57-968 % similar α-Amino-4-chlorobenzeneacetic acid6212-33-568 % similar (2S)-2-Amino-2-(4-chlorophenyl)acetic acid67336-19-068 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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